#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgg s VAL 2 N 0.00 4.11 0.50 0.44 1.01 -1.26 -5.05 120.40 120.15 2kgg s VAL 2 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2kgg s VAL 2 Cb 0.00 -2.76 0.11 0.00 0.00 0.00 0.00 36.38 33.73 2kgg s VAL 2 CO 0.00 0.55 0.68 0.00 0.00 0.00 0.00 175.10 176.34 2kgg s ALA 4 N -3.41 3.60 0.00 0.00 0.00 -0.20 -4.94 121.76 116.82 2kgg s ALA 4 Ca 0.42 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2kgg s ALA 4 Cb -0.02 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2kgg s ALA 4 CO 0.29 -0.82 0.00 0.00 0.00 0.00 0.00 175.76 175.23 2kgg n ALA 5 N 5.67 0.00 -0.29 0.00 0.00 -1.26 -4.22 120.51 120.41 2kgg n ALA 5 Ca -0.02 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.68 2kgg n ALA 5 Cb 0.49 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.53 2kgg n ALA 5 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kgg h GLN 6 N 0.00 0.25 -2.97 0.00 4.20 -1.94 -3.20 115.11 111.45 2kgg h GLN 6 Ca 0.00 -0.01 -0.59 0.00 0.06 0.00 0.00 58.65 58.10 2kgg h GLN 6 Cb 0.00 -0.06 -0.40 0.00 0.30 0.00 0.00 27.48 27.33 2kgg h GLN 6 CO 0.00 0.16 -0.77 1.21 -0.67 0.00 0.00 178.83 178.76 2kgg s ASN 7 N -5.33 3.52 -0.28 1.46 2.47 -1.26 -5.09 114.94 110.43 2kgg s ASN 7 Ca -0.07 -2.28 -0.15 0.00 0.42 0.00 0.00 52.86 50.77 2kgg s ASN 7 Cb 0.24 -0.80 -0.03 0.00 -1.45 0.00 0.00 41.25 39.21 2kgg s ASN 7 CO 0.79 -0.31 0.39 0.00 -3.72 0.00 0.00 177.10 174.26 2kgg n GLN 9 N 5.38 0.03 -3.98 0.00 6.02 -1.26 -4.92 117.38 118.65 2kgg n GLN 9 Ca -0.08 0.30 -0.28 0.00 -0.01 0.00 0.00 57.00 56.93 2kgg n GLN 9 Cb 0.50 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 2kgg n GLN 9 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kgg n ARG 10 N -1.61 -3.82 -2.64 -1.09 1.74 -1.26 -4.95 116.66 103.03 2kgg n ARG 10 Ca 0.03 0.45 -0.42 0.00 -0.77 0.00 0.00 57.85 57.15 2kgg n ARG 10 Cb 0.16 -4.90 -0.04 0.00 -1.02 0.00 0.00 32.46 26.67 2kgg n ARG 10 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2kgg s PRO 11 N -6.59 4.58 -0.28 5.56 0.02 -1.26 -5.02 135.00 132.02 2kgg s PRO 11 Ca 0.29 1.52 -0.00 0.00 0.02 0.00 0.00 61.00 62.83 2kgg s PRO 11 Cb -0.15 -3.39 0.05 0.00 0.02 0.00 0.00 34.50 31.02 2kgg s PRO 11 CO 0.88 0.01 -0.05 0.00 -0.33 0.00 0.00 177.00 177.51 2kgg s LYS 13 N 1.22 0.58 0.00 0.00 1.02 -1.26 -5.04 119.74 116.26 2kgg s LYS 13 Ca -0.05 -1.03 0.25 0.00 0.02 0.00 0.00 55.97 55.16 2kgg s LYS 13 Cb -0.19 0.01 0.57 0.00 -0.52 0.00 0.00 37.83 37.71 2kgg s LYS 13 CO -0.03 -0.05 1.45 -0.40 -0.92 0.00 0.00 175.35 175.40 2kgg n ASP 14 N 0.64 0.96 -0.54 2.83 5.75 -1.26 -3.72 116.55 121.21 2kgg n ASP 14 Ca -0.17 -0.77 0.07 0.00 -0.01 0.00 0.00 54.79 53.91 2kgg n ASP 14 Cb 0.59 0.24 0.17 0.00 -1.03 0.00 0.00 41.12 41.09 2kgg n ASP 14 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2kgg n LYS 15 N -0.88 2.58 -3.66 0.11 5.02 -1.26 -4.91 118.16 115.18 2kgg n LYS 15 Ca 0.10 -2.41 -0.39 0.00 -2.02 0.00 0.00 58.31 53.58 2kgg n LYS 15 Cb 0.35 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 2kgg n LYS 15 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kgg s VAL 16 N -2.14 4.06 0.43 -0.18 0.11 -1.24 -5.08 120.40 116.35 2kgg s VAL 16 Ca 0.30 -1.35 -0.23 0.00 -2.93 0.00 0.00 61.98 57.76 2kgg s VAL 16 Cb 0.23 -3.44 -0.08 0.00 -1.53 0.00 0.00 36.38 31.56 2kgg s VAL 16 CO 0.08 -0.42 1.12 -1.81 -3.33 0.00 0.00 175.10 170.74 2kgg s ASP 17 N 1.87 6.41 0.27 3.54 1.11 -1.26 -4.92 116.67 123.70 2kgg s ASP 17 Ca 0.02 2.21 0.08 0.00 0.18 0.00 0.00 52.55 55.04 2kgg s ASP 17 Cb -0.22 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.14 2kgg s ASP 17 CO 0.02 -0.74 0.13 0.26 1.18 0.00 0.00 175.17 176.01 2kgg s TRP 18 N -1.58 2.92 -0.02 4.23 0.52 -1.26 -4.38 118.94 119.36 2kgg s TRP 18 Ca 0.61 -0.18 0.06 0.00 0.02 0.00 0.00 56.10 56.61 2kgg s TRP 18 Cb -0.26 -1.37 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 2kgg s TRP 18 CO 0.32 0.52 -0.20 0.14 0.02 0.00 0.00 176.95 177.75 2kgg s VAL 19 N -2.24 1.61 -0.09 4.03 -7.23 -0.47 -4.98 120.40 111.03 2kgg s VAL 19 Ca 0.33 -0.86 -0.02 0.00 -1.81 0.00 0.00 61.98 59.62 2kgg s VAL 19 Cb -0.07 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 2kgg s VAL 19 CO 0.23 0.46 0.00 -1.58 -0.31 0.00 0.00 175.10 173.90 2kgg s GLN 20 N -0.40 3.02 -0.59 4.82 0.74 -1.26 0.12 119.66 126.11 2kgg s GLN 20 Ca 0.06 -0.41 -0.21 0.00 0.05 0.00 0.00 55.36 54.85 2kgg s GLN 20 Cb -0.09 -2.80 0.07 0.00 1.10 0.00 0.00 33.01 31.30 2kgg s GLN 20 CO -0.00 0.68 0.81 0.00 -0.55 0.00 0.00 175.29 176.22 2kgg n ASP 22 N 6.91 2.43 -0.41 0.00 9.92 -1.22 -2.12 116.55 132.06 2kgg n ASP 22 Ca -0.05 -2.21 0.12 0.00 -0.53 0.00 0.00 54.79 52.11 2kgg n ASP 22 Cb 0.45 -0.54 0.19 0.00 -0.64 0.00 0.00 41.12 40.57 2kgg n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kgg n GLY 23 N 0.16 -0.20 0.00 0.44 0.00 -1.26 -4.92 105.19 99.41 2kgg n GLY 23 Ca 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2kgg n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgg n GLY 24 N 1.37 0.75 0.11 -0.02 0.00 -1.24 -4.94 105.19 101.22 2kgg n GLY 24 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 2kgg n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgg n ASP 26 N -3.20 -5.21 -4.91 0.00 9.92 -0.90 -4.99 116.55 107.26 2kgg n ASP 26 Ca -0.24 0.40 -0.27 0.00 -0.53 0.00 0.00 54.79 54.15 2kgg n ASP 26 Cb 1.05 -4.32 -0.01 0.00 -0.64 0.00 0.00 41.12 37.21 2kgg n ASP 26 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kgg s GLU 27 N -3.69 3.56 -0.15 -1.24 2.02 -1.26 -4.80 118.70 113.14 2kgg s GLU 27 Ca 0.00 0.16 -0.04 0.00 0.02 0.00 0.00 54.97 55.11 2kgg s GLU 27 Cb 0.00 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 2kgg s GLU 27 CO 0.00 -0.14 -0.04 -1.58 0.02 0.00 0.00 175.26 173.52 2kgg s TRP 28 N -2.65 3.03 0.24 1.61 0.52 -1.26 -2.03 118.94 118.40 2kgg s TRP 28 Ca 0.47 -0.28 0.11 0.00 0.02 0.00 0.00 56.10 56.42 2kgg s TRP 28 Cb -0.10 -1.96 -0.05 0.00 -1.15 0.00 0.00 33.47 30.22 2kgg s TRP 28 CO 0.42 -0.02 -0.18 -0.06 0.02 0.00 0.00 176.95 177.14 2kgg s PHE 29 N 0.33 2.38 0.03 -1.98 0.40 0.12 -1.03 117.98 118.24 2kgg s PHE 29 Ca -0.04 -0.31 -0.16 0.00 -0.60 0.00 0.00 56.93 55.82 2kgg s PHE 29 Cb -0.14 -1.10 -0.06 0.00 0.51 0.00 0.00 43.02 42.23 2kgg s PHE 29 CO 0.03 0.61 0.46 -1.01 0.70 0.00 0.00 175.22 176.01 2kgg s HIS 30 N -2.12 3.74 0.30 0.36 3.76 0.11 -1.37 115.29 120.08 2kgg s HIS 30 Ca 0.27 1.07 -0.00 0.00 -0.15 0.00 0.00 55.06 56.24 2kgg s HIS 30 Cb -0.07 -2.35 0.47 0.00 1.11 0.00 0.00 32.58 31.75 2kgg s HIS 30 CO 0.14 0.62 1.89 1.96 -0.85 0.00 0.00 174.74 178.50 2kgg h GLN 31 N 4.59 0.84 -0.02 1.40 4.20 -1.75 -0.32 115.11 124.05 2kgg h GLN 31 Ca -0.51 -0.13 -0.24 0.00 0.06 0.00 0.00 58.65 57.83 2kgg h GLN 31 Cb 1.22 -0.15 0.02 0.00 0.30 0.00 0.00 27.48 28.86 2kgg h GLN 31 CO 0.62 0.68 -0.93 -0.24 -0.67 0.00 0.00 178.83 178.29 2kgg h VAL 32 N 0.83 1.30 -0.07 -0.54 3.04 -1.91 0.71 116.25 119.61 2kgg h VAL 32 Ca 0.20 -2.18 -0.15 0.00 -1.01 0.00 0.00 66.70 63.56 2kgg h VAL 32 Cb 0.15 2.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 2kgg h VAL 32 CO -0.02 0.67 -0.61 0.00 -1.01 0.00 0.00 177.57 176.60 2kgg n VAL 34 N -3.87 0.32 -2.73 0.00 3.14 -0.16 -4.71 118.33 110.32 2kgg n VAL 34 Ca -0.02 -0.66 -0.02 0.00 -2.96 0.00 0.00 64.34 60.68 2kgg n VAL 34 Cb 0.62 1.10 0.00 0.00 -1.06 0.00 0.00 33.84 34.50 2kgg n VAL 34 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kgg n GLY 35 N 1.06 -1.11 3.13 7.55 0.00 -0.78 -5.04 105.19 110.01 2kgg n GLY 35 Ca 0.13 0.54 -0.20 0.00 0.00 0.00 0.00 46.02 46.49 2kgg n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kgg s VAL 36 N -2.80 1.08 0.12 1.61 1.01 0.24 -5.01 120.40 116.64 2kgg s VAL 36 Ca 0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 2kgg s VAL 36 Cb -0.02 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 2kgg s VAL 36 CO 0.62 0.02 0.30 -0.94 0.00 0.00 0.00 175.10 175.10 2kgg s SER 37 N -1.06 6.41 0.64 3.32 1.04 -1.26 -4.36 113.70 118.43 2kgg s SER 37 Ca 0.02 0.39 0.37 0.00 0.48 0.00 0.00 55.95 57.21 2kgg s SER 37 Cb -0.08 -2.01 2.08 0.00 0.10 0.00 0.00 66.02 66.12 2kgg s SER 37 CO 0.01 0.09 2.24 1.55 0.98 0.00 0.00 173.24 178.11 2kgg h PRO 38 N 2.76 0.00 -0.07 4.02 0.13 -1.99 0.71 132.00 137.57 2kgg h PRO 38 Ca -0.46 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 2kgg h PRO 38 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kgg h PRO 38 CO 0.73 0.00 -0.75 1.49 -0.23 0.00 0.00 178.00 179.25 2kgg h GLU 39 N 0.00 0.41 -0.17 0.86 4.81 -2.00 -3.17 114.58 115.32 2kgg h GLU 39 Ca 0.01 -0.35 -0.21 0.00 -0.13 0.00 0.00 59.36 58.69 2kgg h GLU 39 Cb 0.19 0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.65 2kgg h GLU 39 CO -0.00 0.99 -0.72 1.98 -0.73 0.00 0.00 179.01 180.53 2kgg h MET 40 N 0.28 0.73 -0.48 1.92 4.05 -1.24 -2.68 114.93 117.51 2kgg h MET 40 Ca -0.03 -0.57 0.05 0.00 -0.28 0.00 0.00 59.70 58.87 2kgg h MET 40 Cb 1.33 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 32.19 2kgg h MET 40 CO 0.13 1.18 0.22 0.00 0.23 0.00 0.00 176.91 178.67 2kgg h ALA 41 N 0.66 0.60 0.00 0.39 0.00 -1.52 0.25 119.26 119.65 2kgg h ALA 41 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kgg h ALA 41 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2kgg h ALA 41 CO 0.15 -0.14 -0.27 0.93 0.00 0.00 0.00 179.25 179.91 2kgg h GLU 42 N 0.44 0.00 0.00 0.00 5.08 -1.57 -3.39 114.58 115.14 2kgg h GLU 42 Ca 0.22 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.44 2kgg h GLU 42 Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2kgg h GLU 42 CO -0.17 0.00 -1.52 0.09 -1.00 0.00 0.00 179.01 176.41 2kgg n ASN 43 N -2.60 3.14 -4.54 1.42 3.02 -0.99 -5.06 115.26 109.64 2kgg n ASN 43 Ca 0.04 -0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.34 2kgg n ASN 43 Cb 0.49 0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 40.23 2kgg n ASN 43 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kgg s GLU 44 N -2.18 1.80 -0.34 3.52 2.02 0.83 -5.07 118.70 119.27 2kgg s GLU 44 Ca -0.04 -1.99 -0.21 0.00 0.02 0.00 0.00 54.97 52.76 2kgg s GLU 44 Cb 0.02 -1.37 0.00 0.00 0.10 0.00 0.00 34.13 32.89 2kgg s GLU 44 CO 0.31 -0.05 0.66 0.34 0.02 0.00 0.00 175.26 176.54 2kgg s ASP 45 N -3.60 6.47 -0.50 -0.19 2.15 -1.26 -4.61 116.67 115.13 2kgg s ASP 45 Ca 0.34 0.26 -0.29 0.00 0.43 0.00 0.00 52.55 53.30 2kgg s ASP 45 Cb 0.08 -2.34 0.03 0.00 -0.30 0.00 0.00 42.92 40.38 2kgg s ASP 45 CO 0.16 -0.59 1.19 -0.47 -0.17 0.00 0.00 175.17 175.29 2kgg s TYR 46 N 2.75 2.70 -0.02 -5.34 5.04 -1.26 -5.02 117.35 116.21 2kgg s TYR 46 Ca 0.26 0.63 -0.10 0.00 -2.44 0.00 0.00 57.07 55.41 2kgg s TYR 46 Cb -0.14 -4.45 -0.05 0.00 0.35 0.00 0.00 41.96 37.67 2kgg s TYR 46 CO 0.14 -1.45 0.31 0.42 -1.34 0.00 0.00 175.55 173.63 2kgg s ILE 47 N 4.75 5.22 0.54 3.14 -1.09 -1.26 -3.40 121.20 129.09 2kgg s ILE 47 Ca 0.48 0.48 0.08 0.00 -2.23 0.00 0.00 60.65 59.47 2kgg s ILE 47 Cb -0.08 -3.59 0.06 0.00 -1.58 0.00 0.00 42.46 37.27 2kgg s ILE 47 CO 0.30 0.50 0.63 0.00 -1.23 0.00 0.00 174.94 175.14 2kgg h ILE 49 N 0.45 0.98 0.05 0.00 2.10 -1.99 0.11 117.51 119.21 2kgg h ILE 49 Ca -0.34 -0.31 -0.24 0.00 1.08 0.00 0.00 64.86 65.06 2kgg h ILE 49 Cb 1.29 0.00 -0.00 0.00 -1.09 0.00 0.00 36.82 37.02 2kgg h ILE 49 CO 0.47 0.16 -1.05 0.78 -1.08 0.00 0.00 178.15 177.44 2kgg h ASN 50 N 0.90 0.37 0.64 2.19 4.21 -2.04 -3.10 115.58 118.75 2kgg h ASN 50 Ca 0.41 -0.35 -0.12 0.00 1.21 0.00 0.00 56.30 57.45 2kgg h ASN 50 Cb 0.39 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 2kgg h ASN 50 CO -0.17 1.20 -0.58 0.00 -1.29 0.00 0.00 177.43 176.59